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Computerized Simulation on the Structure of Cryolite-Alumina Melts

XIE Gang , QIU Zhuxian , XU Chi , CHEN Nainyi Northeast University of Technology , Shenyang , China. Shanghai Institute of Metallurgy , Academia Sinica , Shanghai , China. To whom correspondence should be addressed.

材料科学技术(英文)

Monte Carlo calculations were performed on liquid ionic solution of saturated alumina in cryolite melt containing a total of 205 ions. The local structure and radial distribution functions of the melt were computerized by Monte Carlo method at 1283 K. It has been found that there exist the complex ionic clusters such as AlOF_3~(2-), AlOF_4~(3-), AlF_4~-, AlF_5~(2-), AlOF_2~- etc., as well as oxygen-bridge and flourine-bridge ionic clusters. In the melt studied, Al~(3+) ions tend to have preferential even coordination number of 4F~- ions.

关键词: Monte Carlo method , null , null , null , null

强旋流中颗粒运动特性的直接数值模拟

桂南 , 樊建人 , 陈松

工程热物理学报

本文采用直接数值模拟计算了Re=669,S=1.42强旋流中的颗粒运动特性.计算的部分流动条件依照SommerfeId & Qiu的实验条件进行模化.模拟的结果揭示了旋流近场的颗粒运动的浓度、速度的时均量和脉动值的统计分布特性.

关键词: 旋流 , 颗粒运动 , 直接数值模拟 , 统计特性

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